[en] First-principles techniques are used to investigate the behavior of BiFeO3/LaFeO3 perovskite oxide superlattices epitaxially grown on a (001)-SrTiO3 substrate. The calculations show that 1/1 superlattices exhibit a Pmc21 ground state combining a trilinear coupling of one polar and two oxygen rotational lattice modes, and weak ferromagnetism. The microscopic mechanism allowing one to manipulate the magnetization with an electric field in such systems is presented and its dependence on strain and chemical substitution is discussed. BiFeO3/LaFeO3 artificial superlattices appear to be good candidates to achieve electric switching of magnetization at room temperature.
Disciplines :
Physics
Author, co-author :
Zanolli, Zeila ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Wojdeł, Jacek
Iniguez, Jorge
Ghosez, Philippe ; Université de Liège - ULiège > Département de physique > Physique théorique des matériaux
Language :
English
Title :
Electric control of the magnetization in BiFeO3/LaFeO3 superlattices
Publication date :
2013
Journal title :
Physical Review. B, Condensed Matter and Materials Physics
ISSN :
1098-0121
eISSN :
1550-235X
Publisher :
American Physical Society, Woodbury, United States - New York
Volume :
88
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
Tier-1 supercomputer CÉCI : Consortium des Équipements de Calcul Intensif
Y. H. Chu, Nat. Mater. 1476-1122 10.1038/nmat2184 7, 478 (2008). (Pubitemid 351735881)
P. Zubko, S. Gariglio, M. Gabay, Ph. Ghosez, and J.-M. Triscone, Annu. Rev. Condens. Matter Phys. 1947-5454 10.1146/annurev-conmatphys-062910-140445 2, 141 (2011).
E. Bousquet, M. Dawber, N. Stucki, C. Lichtensteiger, P. Hermet, S. Gariglio, J.-M. Triscone, and Ph. Ghosez, Nature (London) NATUAS 0028-0836 10.1038/nature06817 452, 732 (2008). (Pubitemid 351522765)
N. A. Benedek and C. J. Fennie, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.107204 106, 107204 (2011).
M. Stengel, C. J. Fennie, and Ph. Ghosez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.86.094112 86, 094112 (2012).
J. Rondinelli and C. J. Fennie, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.201104674 24, 1961 (2012).
A. T. Mulder, N. A. Benedek, J. M. Rondinelli, and C. J. Fennie, Adv. Funct. Mater. (2013), doi: 10.1002/adfm.201300210.
T. Birol, N. A. Benedek, H. Das, A. L. Wysocki, A. T. Mulder, B. M. Abbett, E. H. Smith, S. Ghosh, and C. J. Fennie, Curr. Opin. Solid State Mater. Sci. COSSFX 1359-0286 10.1016/j.cossms.2012.08.002 16, 227 (2012).
I. Sosnowska, W. Schäfer, W. Kockelmann, K. H. Andersen, and I. O. Troyanchuk, Appl. Phys. A APAMFC 0947-8396 10.1007/s003390201604 74, S1040 (2002).
W. C. Koehler and E. O. Wollan, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(57)90095-1 2, 100 (1957).
S. V. Kiselev, R. P. Ozerov, and G. S. Zhdanov, Sov. Phys. Dokl. 7, 742 (1963).
S. Geller and E. A. Wood, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X56001571 9, 563 (1956).
O. Dieguez, O. E. Gonzalez-Vazquez, J. C. Wojdel, and J. Iniguez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.094105 83, 094105 (2011).
C. Michel, J.-M. Moreau, G. D. Achenbach, R. Gerson, and W. J. James, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(69)90597-3 7, 701 (1969).
O. E. Gonzalez-Vazquez, J. C. Wojdel, O. Dieguez, and J. Iniguez, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.85.064119 85, 064119 (2012).
M. Torrent, F. Jollet, F. Bottin, G. Zerah, and X. Gonze, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/j.commatsci.2007.07.020 42, 337 (2008). (Pubitemid 351335267)
A. I. Liechtenstein, V. I. Anisimov, and J. Zaanen Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.52.R5467 52, R5467 (1995).
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
E. Bousquet and N. Spaldin, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.220402 82, 220402 (R) (2010).
W. Eerenstein, F. D. Morrison, J. Dho, M. G. Blamire, J. F. Scott, and N. D. Mathur, Science SCIEAS 0036-8075 10.1126/science.1105422 307, 1203 (2005).
J. B. Neaton, C. Ederer, U. V. Waghmare, N. A. Spaldin, and K. M. Rabe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.71.014113 71, 014113 (2005). (Pubitemid 40486273)
Z. Yang, Z. Huang, L. Ye, and X. Xie, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.60.15674 60, 15674 (1999).
See Supplemental material at http://link.aps.org/supplemental/10.1103/ PhysRevB.88.060102 for detailed information on low-energy structures, structural parameters, Born effective charges, Landau-type model of the total energy, overlaps, eigendisplacements and distortions.
A. M. Glazer, Acta Cryst. A31, 756 (1975)
E. Bousquet and N. Spaldin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.197603 107, 197603 (2011).
E. F. Bertaut, Magnetism (Academic Press, New York, 1963), Vol. 3, p. 146.
